SCHEMBL7257972

SCHEMBL7257972

CCCCC(CCCCC(=O)OC)C1c2ccc(O)cc2SCC1(C)c1ccc(O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 9/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 2/20 0.35
PGR P06401 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
ATM Q13315 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7263344 0.96 PTGER2 (0.35) PTGER2LMNAMAPTKMT2AESR1
SCHEMBL5855191 0.94 PTGER2 (0.33) PTGER2LMNAMAPTKMT2AESR1
SCHEMBL5855042 0.90 CYP19A1 (0.33) PTGER2PTGER4PTGER3PPARAHTT
SCHEMBL5854085 0.86 PTGER2 (0.33) PTGER2PTGER4PTGER3HTTHSD17B3
SCHEMBL7257977 0.84 ALOX5 (0.34)
SCHEMBL5854635 0.79 TBXA2R (0.35) PTGER2LMNAMAPTKMT2AESR1
SCHEMBL7262813 0.79 TBXA2R (0.35) PTGER2LMNAMAPTKMT2AESR1
SCHEMBL7258633 0.79 TBXA2R (0.35) PTGER2LMNAMAPTKMT2AESR1
SCHEMBL5856053 0.79 HSD17B3 (0.33) HSD17B3
SCHEMBL5854558 0.77 OPRM1 (0.34)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed